(5-methyl-2-propan-2-ylpiperazin-1-yl)-pyridin-3-ylmethanone

C14H21N3O — CID 82244528

IUPAC(5-methyl-2-propan-2-ylpiperazin-1-yl)-pyridin-3-ylmethanone
SMILESCC1CN(C(=O)c2cccnc2)C(C(C)C)CN1
InChIInChI=1S/C14H21N3O/c1-10(2)13-8-16-11(3)9-17(13)14(18)12-5-4-6-15-7-12/h4-7,10-11,13,16H,8-9H2,1-3H3
InChIKeyPKTREEVPMXLOOY-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.54
Rot. Bonds2

About (5-methyl-2-propan-2-ylpiperazin-1-yl)-pyridin-3-ylmethanone

(5-methyl-2-propan-2-ylpiperazin-1-yl)-pyridin-3-ylmethanone (PubChem CID 82244528) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is (5-methyl-2-propan-2-ylpiperazin-1-yl)-pyridin-3-ylmethanone.

Molecular Properties

Compound Name(5-methyl-2-propan-2-ylpiperazin-1-yl)-pyridin-3-ylmethanone
PubChem CID82244528
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name(5-methyl-2-propan-2-ylpiperazin-1-yl)-pyridin-3-ylmethanone
SMILESCC1CN(C(=O)c2cccnc2)C(C(C)C)CN1
InChIInChI=1S/C14H21N3O/c1-10(2)13-8-16-11(3)9-17(13)14(18)12-5-4-6-15-7-12/h4-7,10-11,13,16H,8-9H2,1-3H3
InChIKeyPKTREEVPMXLOOY-UHFFFAOYSA-N
XLogP1.54
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methylphenyl)-(5-methyl-2-propan-2-ylpiperazin-1-yl)methanone
CID 82246016
[2-(hydroxymethyl)-5-propan-2-ylpiperazin-1-yl]-pyridin-3-ylmethanone
CID 82246572
[2-(2-methylpropyl)-5-propan-2-ylpiperazin-1-yl]-pyridin-3-ylmethanone
CID 82250597
pyridin-3-yl-(2,2,5-trimethylpiperazin-1-yl)methanone
CID 82243127
ethane;2-methyl-1-[3-methyl-4-(pyridine-3-carbonyl)piperazin-1-yl]propan-1-one
CID 163264781
5-methyl-N-phenyl-2-propan-2-ylpiperazine-1-carboxamide
CID 82246231
(2,5-diethylpiperazin-1-yl)-pyridin-3-ylmethanone
CID 64978518
(2,5-dimethylmorpholin-4-yl)-pyridin-3-ylmethanone
CID 110727642
(3-hydroxyazetidin-1-yl)-pyridin-3-ylmethanone
CID 63106557
[(2R)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 95038925
[(2S)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 95038922
[(1R,5S)-3,7-diazabicyclo[3.3.1]nonan-3-yl]-pyridin-3-ylmethanone
CID 72698066

Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-propan-2-ylpiperazin-1-yl)-pyridin-3-ylmethanone?
The IUPAC name of (5-methyl-2-propan-2-ylpiperazin-1-yl)-pyridin-3-ylmethanone (CID 82244528) is (5-methyl-2-propan-2-ylpiperazin-1-yl)-pyridin-3-ylmethanone.
What is the SMILES notation for (5-methyl-2-propan-2-ylpiperazin-1-yl)-pyridin-3-ylmethanone?
The canonical SMILES for (5-methyl-2-propan-2-ylpiperazin-1-yl)-pyridin-3-ylmethanone is CC1CN(C(=O)c2cccnc2)C(C(C)C)CN1.
What is the InChIKey of (5-methyl-2-propan-2-ylpiperazin-1-yl)-pyridin-3-ylmethanone?
The InChIKey is PKTREEVPMXLOOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-10(2)13-8-16-11(3)9-17(13)14(18)12-5-4-6-15-7-12/h4-7,10-11,13,16H,8-9H2,1-3H3.
What are the key properties of (5-methyl-2-propan-2-ylpiperazin-1-yl)-pyridin-3-ylmethanone?
(5-methyl-2-propan-2-ylpiperazin-1-yl)-pyridin-3-ylmethanone has a molecular weight of 247.34 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2-propan-2-ylpiperazin-1-yl)-pyridin-3-ylmethanone is sourced from PubChem (CID 82244528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).